5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole

C24H17N3O — CID 122196571

IUPAC5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole
SMILESc1ccc(Oc2ccc(-c3cncc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1
InChIInChI=1S/C24H17N3O/c1-2-4-20(5-3-1)28-21-9-6-17(7-10-21)23-15-25-16-24(27-23)18-8-11-22-19(14-18)12-13-26-22/h1-16,26H
InChIKeyFUUYCVZXOQCRIT-UHFFFAOYSA-N
MW363.42 g/mol
LogP6.08
Rot. Bonds4

About 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole

5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole (PubChem CID 122196571) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole.

Molecular Properties

Compound Name5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole
PubChem CID122196571
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole
SMILESc1ccc(Oc2ccc(-c3cncc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1
InChIInChI=1S/C24H17N3O/c1-2-4-20(5-3-1)28-21-9-6-17(7-10-21)23-15-25-16-24(27-23)18-8-11-22-19(14-18)12-13-26-22/h1-16,26H
InChIKeyFUUYCVZXOQCRIT-UHFFFAOYSA-N
XLogP6.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole?
The IUPAC name of 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole (CID 122196571) is 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole.
What is the SMILES notation for 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole?
The canonical SMILES for 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole is c1ccc(Oc2ccc(-c3cncc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1.
What is the InChIKey of 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole?
The InChIKey is FUUYCVZXOQCRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c1-2-4-20(5-3-1)28-21-9-6-17(7-10-21)23-15-25-16-24(27-23)18-8-11-22-19(14-18)12-13-26-22/h1-16,26H.
What are the key properties of 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole?
5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole has a molecular weight of 363.42 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-phenoxyphenyl)pyrazin-2-yl]-1H-indole is sourced from PubChem (CID 122196571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).